Benzene → 3-[2-(N-(4-carboxy-4,4-dimethyl-1-oxobutyl)-N-methylamino)-ethyl]-indole

반응식

[CH3:14][C:15]1([CH3:23])[C:16](=[O:17])[O:18][C:19](=[O:22])[CH2:20][CH2:21]1.[CH3:1][NH:2][CH2:3][CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][N:2]([CH2:3][CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[C:19]([CH2:20][CH2:21][C:15]([CH3:14])([C:16](=[O:17])[OH:18])[CH3:23])=[O:22]

참가 물질

반응물 3

HCID 241Benzene

HCID 6088Methyltryptamine

HCID 76247Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione

생성물 1

HCID 155908293-[2-(N-(4-carboxy-4,4-dimethyl-1-oxobutyl)-N-methylamino)-ethyl]-indole

출처 및 근거

ORD 기록: ord-ae06c2ba7fc54af9b8fdcc65698e9ce1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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